Geometry & MOs

Info

ID:	217687
PubChem CID:	85088222
Reduced:	SO2N3H19C22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	389.24269
ΔH_f, kcal/mol:	28.75
Dipole, Da:	0.68
IP(EA), eV:	-8.66(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[3-(diaminomethylidenehydrazinylidene)oct-1-enyl]pyridin-3-yl]oxyhexanoic acid

Drug info:

PubChemData

Smile

CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1N=CC4=CC=C(C=C4)C5=CC=CO5

DOS

IR

Vibrations